(Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine

C22H23N5O2S — CID 155264329

IUPAC(Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine
SMILESCOc1ccc(CN(N)/C=C(\N)c2c(-c3ccccc3)nc3sccn23)cc1OC
InChIInChI=1S/C22H23N5O2S/c1-28-18-9-8-15(12-19(18)29-2)13-26(24)14-17(23)21-20(16-6-4-3-5-7-16)25-22-27(21)10-11-30-22/h3-12,14H,13,23-24H2,1-2H3/b17-14-
InChIKeyILDASSSZVOTQDL-VKAVYKQESA-N
MW421.53 g/mol
LogP3.71
Rot. Bonds7

About (Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine

(Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine (PubChem CID 155264329) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is (Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine.

Molecular Properties

Compound Name(Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine
PubChem CID155264329
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name(Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine
SMILESCOc1ccc(CN(N)/C=C(\N)c2c(-c3ccccc3)nc3sccn23)cc1OC
InChIInChI=1S/C22H23N5O2S/c1-28-18-9-8-15(12-19(18)29-2)13-26(24)14-17(23)21-20(16-6-4-3-5-7-16)25-22-27(21)10-11-30-22/h3-12,14H,13,23-24H2,1-2H3/b17-14-
InChIKeyILDASSSZVOTQDL-VKAVYKQESA-N
XLogP3.71
TPSA91.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[amino-[(Z)-2-amino-2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethenyl]amino]methyl]-2-chlorobenzoic acid;ethane
CID 155716229
8-(6-phenylimidazo[2,1-b][1,3]thiazole-5-carbonyl)oxyoctyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 11592429
1-(2-methoxyphenyl)-N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 24593929
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2342605
6-phenyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 142505368
3,4-dimethoxy-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-5-prop-2-enylbenzamide
CID 43034625
4-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2,4-dioxobutanoic acid
CID 20500975
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
2-(3,4-dimethoxyphenyl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40506189
3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220711
ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970
N-[[6-(2-methoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476724

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine?
The IUPAC name of (Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine (CID 155264329) is (Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine.
What is the SMILES notation for (Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine?
The canonical SMILES for (Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine is COc1ccc(CN(N)/C=C(\N)c2c(-c3ccccc3)nc3sccn23)cc1OC.
What is the InChIKey of (Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine?
The InChIKey is ILDASSSZVOTQDL-VKAVYKQESA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-28-18-9-8-15(12-19(18)29-2)13-26(24)14-17(23)21-20(16-6-4-3-5-7-16)25-22-27(21)10-11-30-22/h3-12,14H,13,23-24H2,1-2H3/b17-14-.
What are the key properties of (Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine?
(Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine has a molecular weight of 421.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino-[(3,4-dimethoxyphenyl)methyl]amino]-1-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenamine is sourced from PubChem (CID 155264329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).